Hello gmx-users,
then would you please offer me some classical paper on the opls parameters?
and by the way, will the charge distributed by QEq or Gasteiger enough for the opls or gromacs force field?
Thanks!
Regards!
Sincerely,
Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences
wurl04 at iccas.ac.cn
2006-02-13